(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one

C24H42O4Si2 — CID 101462343

IUPAC(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](c2ccccc2)CC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O4Si2/c1-23(2,3)29(7,8)26-17-21-22(28-30(9,10)24(4,5)6)19(25)16-20(27-21)18-14-12-11-13-15-18/h11-15,20-22H,16-17H2,1-10H3/t20-,21+,22-/m0/s1
InChIKeyWTKYVQVWDSFFDB-BDTNDASRSA-N
MW450.77 g/mol
LogP6.50
Rot. Bonds6

About (2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one

(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one (PubChem CID 101462343) has the molecular formula C24H42O4Si2 and a molecular weight of 450.77 g/mol. Its IUPAC name is (2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one.

Molecular Properties

Compound Name(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one
PubChem CID101462343
Molecular FormulaC24H42O4Si2
Molecular Weight450.77 g/mol
Exact Mass450.26
IUPAC Name(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](c2ccccc2)CC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O4Si2/c1-23(2,3)29(7,8)26-17-21-22(28-30(9,10)24(4,5)6)19(25)16-20(27-21)18-14-12-11-13-15-18/h11-15,20-22H,16-17H2,1-10H3/t20-,21+,22-/m0/s1
InChIKeyWTKYVQVWDSFFDB-BDTNDASRSA-N
XLogP6.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.77
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetate
CID 12192987
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-4-one
CID 101462349
(2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde
CID 11060433
methyl 2-[(4R,6S)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-phenylethyl]-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate
CID 134837499
(4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 134837826
1-O-benzyl 4-O-tert-butyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 10786824
benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-oxohexanoate
CID 10872222
(4S)-Benzyl 4-((tert-butyldimethylsilyl)oxy)-2,5-dimethyl-3-oxohexanoate
CID 11760648
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,5S,6S)-5-methyl-4-oxo-6-[(E)-2-phenylethenyl]oxan-2-yl]acetate
CID 102338796
methyl (2S,4R)-6-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate
CID 134962458
methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate
CID 134962461
[(2R,3R,6S)-3-acetyloxy-4-oxo-6-phenyloxan-2-yl]methyl acetate
CID 10086462

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one?
The IUPAC name of (2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one (CID 101462343) is (2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one.
What is the SMILES notation for (2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one?
The canonical SMILES for (2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](c2ccccc2)CC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one?
The InChIKey is WTKYVQVWDSFFDB-BDTNDASRSA-N. The full InChI is InChI=1S/C24H42O4Si2/c1-23(2,3)29(7,8)26-17-21-22(28-30(9,10)24(4,5)6)19(25)16-20(27-21)18-14-12-11-13-15-18/h11-15,20-22H,16-17H2,1-10H3/t20-,21+,22-/m0/s1.
What are the key properties of (2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one?
(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one has a molecular weight of 450.77 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyloxan-4-one is sourced from PubChem (CID 101462343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).